Di-1-adamantylphosphine oxide - ≥90% , CAS No.131266-79-0

CAS: 131266-79-0 Cat. No.: D281956 Molecular Weight: 318.43 EC Number: 815-233-0 PubChem CID: 11267131

GRADE & PURITY ≥90%

Synonyms

AKOS040767624 | KSPQHGMECVEYEN-UHFFFAOYSA-N | MFCD00185311 | di-1-adamantylphosphine oxide | 1-(1-adamantylphosphonoyl)adamantane | Phosphine oxide, bis(tricyclo[3.3.1.13,7]dec-1-yl)- | bis(1-adamantyl)-oxophosphanium | Di(adamantan-1-yl)phosphine oxide |

Storage

Room temperature

Specifications

Synonyms

AKOS040767624 | KSPQHGMECVEYEN-UHFFFAOYSA-N | MFCD00185311 | di-1-adamantylphosphine oxide | 1-(1-adamantylphosphonoyl)adamantane | Phosphine oxide, bis(tricyclo[3.3.1.13, 7]dec-1-yl)- | bis(1-adamantyl)-oxophosphanium | Di(adamantan-1-yl)phosphine oxide |

Specifications & Purity

≥90%

Storage

Room temperature

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C1C2CC3CC1CC(C2)(C3)[P+](=O)C45CC6CC(C4)CC(C6)C5
• IUPAC Name: bis(1-adamantyl)-oxophosphanium
• InChIKey: YTLFFIFRPOHQPT-UHFFFAOYSA-N
• INCHI: 1S/C20H30OP/c21-22(19-7-13-1-14(8-19)3-15(2-13)9-19)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2/q+1
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)[P+](=O)C45CC6CC(C4)CC(C6)C5
• PubChem CID: 11267131
• Molecular Weight: 318.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organophosphorus compounds
• Alternative Parents: Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organic cation - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as organophosphorus compounds. These are organic compounds containing the phosphorus atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 317.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 317.203 Da
• Monoisotopic Mass: 317.203 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 1
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1